2-ethyl-N,N-bis(3-hydroxy-2,2-dimethylpropyl)hexanamide

C18H37NO3 — CID 57291591

IUPAC2-ethyl-N,N-bis(3-hydroxy-2,2-dimethylpropyl)hexanamide
SMILESCCCCC(CC)C(=O)N(CC(C)(C)CO)CC(C)(C)CO
InChIInChI=1S/C18H37NO3/c1-7-9-10-15(8-2)16(22)19(11-17(3,4)13-20)12-18(5,6)14-21/h15,20-21H,7-14H2,1-6H3
InChIKeyKDINASPKPJKNDM-UHFFFAOYSA-N
MW315.50 g/mol
LogP3.07
Rot. Bonds11

About 2-ethyl-N,N-bis(3-hydroxy-2,2-dimethylpropyl)hexanamide

2-ethyl-N,N-bis(3-hydroxy-2,2-dimethylpropyl)hexanamide (PubChem CID 57291591) has the molecular formula C18H37NO3 and a molecular weight of 315.50 g/mol. Its IUPAC name is 2-ethyl-N,N-bis(3-hydroxy-2,2-dimethylpropyl)hexanamide.

Molecular Properties

Compound Name2-ethyl-N,N-bis(3-hydroxy-2,2-dimethylpropyl)hexanamide
PubChem CID57291591
Molecular FormulaC18H37NO3
Molecular Weight315.50 g/mol
Exact Mass315.28
IUPAC Name2-ethyl-N,N-bis(3-hydroxy-2,2-dimethylpropyl)hexanamide
SMILESCCCCC(CC)C(=O)N(CC(C)(C)CO)CC(C)(C)CO
InChIInChI=1S/C18H37NO3/c1-7-9-10-15(8-2)16(22)19(11-17(3,4)13-20)12-18(5,6)14-21/h15,20-21H,7-14H2,1-6H3
InChIKeyKDINASPKPJKNDM-UHFFFAOYSA-N
XLogP3.07
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.50
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,N-bis(3-hydroxy-2,2-dimethylpropyl)hexanamide?
The IUPAC name of 2-ethyl-N,N-bis(3-hydroxy-2,2-dimethylpropyl)hexanamide (CID 57291591) is 2-ethyl-N,N-bis(3-hydroxy-2,2-dimethylpropyl)hexanamide.
What is the SMILES notation for 2-ethyl-N,N-bis(3-hydroxy-2,2-dimethylpropyl)hexanamide?
The canonical SMILES for 2-ethyl-N,N-bis(3-hydroxy-2,2-dimethylpropyl)hexanamide is CCCCC(CC)C(=O)N(CC(C)(C)CO)CC(C)(C)CO.
What is the InChIKey of 2-ethyl-N,N-bis(3-hydroxy-2,2-dimethylpropyl)hexanamide?
The InChIKey is KDINASPKPJKNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO3/c1-7-9-10-15(8-2)16(22)19(11-17(3,4)13-20)12-18(5,6)14-21/h15,20-21H,7-14H2,1-6H3.
What are the key properties of 2-ethyl-N,N-bis(3-hydroxy-2,2-dimethylpropyl)hexanamide?
2-ethyl-N,N-bis(3-hydroxy-2,2-dimethylpropyl)hexanamide has a molecular weight of 315.50 g/mol, XLogP of 3.07, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,N-bis(3-hydroxy-2,2-dimethylpropyl)hexanamide is sourced from PubChem (CID 57291591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).